4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C16H18N6O2 — CID 3244716

IUPAC4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)13-12-14(17)20-21-15(12)19-16(18-13)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyPIEOTSZAHNFSBP-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.45
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 3244716) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID3244716
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)13-12-14(17)20-21-15(12)19-16(18-13)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyPIEOTSZAHNFSBP-UHFFFAOYSA-N
XLogP1.45
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 3244716) is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is COc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is PIEOTSZAHNFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)13-12-14(17)20-21-15(12)19-16(18-13)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 326.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 3244716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).